CID 12418701

1-butanamine, 2-methyl-n-(2-methylbutyl)-

Structural Information

Molecular Formula
C10H23N
SMILES
CCC(C)CNCC(C)CC
InChI
InChI=1S/C10H23N/c1-5-9(3)7-11-8-10(4)6-2/h9-11H,5-8H2,1-4H3
InChIKey
GNSBJLGFTFJIAC-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylbutyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

282
Patents

157.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.190316 142.7
[M+Na]+ 180.172258 146.9
[M-H]- 156.175764 142.4
[M+NH4]+ 175.216863 163.5
[M+K]+ 196.146198 146.6
[M+H-H2O]+ 140.180300 137.4
[M+HCOO]- 202.181241 164.1
[M+CH3COO]- 216.196891 185.9
[M+Na-2H]- 178.157706 145.2
[M]+ 157.18249142 143.3
[M]- 157.18358858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe